Re: CCL:CPCM models in gaussian 03

 Hi Yoldi,
the dielectric continuum solvation approximation anyway is only a very approximate description, quite accidentally working for water. A method enabling the simulation of arbitrary solvents, even mixtures, at variable temperature is given by the COSMO-RS method. For this you can choose the COSMO-RS keyword settings as descibed in the Gaussian manual for solvents and solutes. This will produce a COSMO file for each compound (solvents and solutes). Our COSMOtherm software (see www.cosmologic.de) then can use the surface polarization charges form the COSMO files and perform a (COSMO-RS) statistical thermodynamics which gives you the chemical potentials (free energies) and enthalpies of all compounds in the specified mixtures. In this way COSMO-RS treats solutes and solvents on the same footing, including electrostatics, hydrogen bonding, and vdWs interactions. 
 Andreas
 i fffff1igo garcia yoldi wrote:
 
 Hi list.
 I am trying to simulate a CPCM model in gaussian 03
for some disolvents that are not described in l502.F. 
 I would like to Know if I need to fill all the
 parameters (EPS, TCE, STEN...) for a CPCM calculation
 or only some of them.
 I also need a good reference to find some physical
 properties of the disolvents (specially the surface
 tension and the thermal expansion coefficient).
 Thanks in advance
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